Compound Detail
CHEMBL1807126
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O=C(c1ccccc1)N(/N=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL1807126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZENBBSDWYKVTBK-ZQHSETAFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
527.3
MW (Da)
6.89
ALogP
7
HBA
0
HBD
131.3
PSA (Ų)
0.15
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 600.0 | nM | 6.22 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 21550697 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28063354 | 10.1016/j.ejmech.2016.12.060 | Staphylococcus aureus | 5 |
| 28063354 | 10.1016/j.ejmech.2016.12.060 | Escherichia coli | 4 |
| 28063354 | 10.1016/j.ejmech.2016.12.060 | No relevant target | 4 |
| 28063354 | 10.1016/j.ejmech.2016.12.060 | Mycolicibacterium smegmatis | 2 |
| 28063354 | 10.1016/j.ejmech.2016.12.060 | Streptococcus pneumoniae | 2 |
| 28063354 | 10.1016/j.ejmech.2016.12.060 | Bacillus subtilis | 2 |
| 28063354 | 10.1016/j.ejmech.2016.12.060 | Klebsiella pneumoniae | 2 |
| 28063354 | 10.1016/j.ejmech.2016.12.060 | Acinetobacter baumannii | 2 |
| 21550697 | 10.1016/j.ejmech.2011.04.024 | HeLa | 1 |
| 21550697 | 10.1016/j.ejmech.2011.04.024 | No relevant target | 1 |
| 28063354 | 10.1016/j.ejmech.2016.12.060 | Saccharomyces cerevisiae | 1 |
| 28063354 | 10.1016/j.ejmech.2016.12.060 | Enterococcus faecalis | 1 |
| 28063354 | 10.1016/j.ejmech.2016.12.060 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine